SCHEMBL20140726

SCHEMBL20140726

N#Cc1ccccc1N1CCN(Cc2cc(C(=O)N3CCN(c4ccccc4C#N)CC3)c3cc[nH]c3c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.55
PARP1 P09874 1/20 0.51
MTOR P42345 2/20 0.48
RPTOR Q8N122 2/20 0.48
MLST8 Q9BVC4 2/20 0.48
HTT P42858 1/20 0.47
DRD2 P14416 3/20 0.47
DRD4 P21917 3/20 0.47
DRD3 P35462 1/20 0.47
TACR3 P29371 1/20 0.46
AVPR1A P37288 1/20 0.44
HTR1A P08908 1/20 0.44
GAA P10253 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20141431 0.85 TACR3 (0.48) MAPK14PARP1MTORRPTORMLST8
SCHEMBL20141863 0.80 MTOR (0.53) PARP1MTORRPTORMLST8DRD2
SCHEMBL20140569 0.80 MTOR (0.51) PARP1MTORRPTORMLST8DRD2
SCHEMBL20140044 0.79 MTOR (0.54) PARP1MTORRPTORMLST8HTT
SCHEMBL20156943 0.79 GAA (0.49) MAPK14PARP1MTORRPTORMLST8
SCHEMBL20157163 0.78 MTOR (0.45) PARP1MTORRPTORMLST8DRD2
SCHEMBL20156786 0.76 MTOR (0.51) PARP1MTORRPTORMLST8DRD2
SCHEMBL20157291 0.76 PARP1 (0.45) PARP1MTORRPTORMLST8DRD2
Trifluoroacetic Acid SCHEMBL20140610 0.75 MTOR (0.49) PARP1MTORRPTORMLST8DRD2
SCHEMBL20156931 0.75 MTOR (0.51) PARP1MTORRPTORMLST8DRD2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed